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Table 1 Crystallographic data and refinement information of 4a

From: Tandem Aldol-Michael reactions in aqueous diethylamine medium: a greener and efficient approach to dimedone-barbituric acid derivatives

Empirical formula C25H32N2O6
Formula weight 456.53
Temperature (K) 293
Crystal system Orthorhombic
Space group Pbca
Cu Kα radiation, λ 1.54178 Å
a = 14.6669 (5) Å
b = 18.3084 (6) Å
c = 19.0294 (6) Å
α = 90º
β = 90º
γ = 90º
V = 5109.9 (3) Å3
Z = 8
Theta range for data collection 3.0–69.2°
μ = 0.70 mm−1
Density clac. (g/cm3) 1.187
Crystal shape and colour Plate, colourless
Crystal size 0.89 × 0.78 × 0.22 mm
h/k/l −17,17/-22,22/-22,23
Measured reflections 32924
Independent reflections 4796 (Rint = 0.088)
Reflections with I > 2σ(I) 3997
Goodness-of-fit on F2 1.04
R[F2 > 2σ(F2)] = 0.067
wR(F2) = 0.195
Δρmax = 0.47 e Å−3
Δρmin = −0.40 e Å−3